2-(1-aminopropylamino)-3-methylbutan-2-ol

C8H20N2O — CID 134537285

IUPAC2-(1-aminopropylamino)-3-methylbutan-2-ol
SMILESCCC(N)NC(C)(O)C(C)C
InChIInChI=1S/C8H20N2O/c1-5-7(9)10-8(4,11)6(2)3/h6-7,10-11H,5,9H2,1-4H3
InChIKeyPGROSZUXHDEIOX-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.64
Rot. Bonds4

About 2-(1-aminopropylamino)-3-methylbutan-2-ol

2-(1-aminopropylamino)-3-methylbutan-2-ol (PubChem CID 134537285) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-(1-aminopropylamino)-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-(1-aminopropylamino)-3-methylbutan-2-ol
PubChem CID134537285
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name2-(1-aminopropylamino)-3-methylbutan-2-ol
SMILESCCC(N)NC(C)(O)C(C)C
InChIInChI=1S/C8H20N2O/c1-5-7(9)10-8(4,11)6(2)3/h6-7,10-11H,5,9H2,1-4H3
InChIKeyPGROSZUXHDEIOX-UHFFFAOYSA-N
XLogP0.64
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropylamino)-3-methylbutan-2-ol?
The IUPAC name of 2-(1-aminopropylamino)-3-methylbutan-2-ol (CID 134537285) is 2-(1-aminopropylamino)-3-methylbutan-2-ol.
What is the SMILES notation for 2-(1-aminopropylamino)-3-methylbutan-2-ol?
The canonical SMILES for 2-(1-aminopropylamino)-3-methylbutan-2-ol is CCC(N)NC(C)(O)C(C)C.
What is the InChIKey of 2-(1-aminopropylamino)-3-methylbutan-2-ol?
The InChIKey is PGROSZUXHDEIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-5-7(9)10-8(4,11)6(2)3/h6-7,10-11H,5,9H2,1-4H3.
What are the key properties of 2-(1-aminopropylamino)-3-methylbutan-2-ol?
2-(1-aminopropylamino)-3-methylbutan-2-ol has a molecular weight of 160.26 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropylamino)-3-methylbutan-2-ol is sourced from PubChem (CID 134537285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).